Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r3d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N ASN 21.A OD1 no hydrogen 3.088 N/A ILE 3.A N LEU 19.A O no hydrogen 2.926 N/A GLU 4.A N ASN 49.A OD1 no hydrogen 2.670 N/A VAL 5.A N VAL 17.A O no hydrogen 3.036 N/A LEU 6.A N HIS 51.A O no hydrogen 3.125 N/A VAL 7.A N ARG 15.A O no hydrogen 2.882 N/A THR 8.A N LEU 53.A O no hydrogen 2.922 N/A THR 8.A OG1 ASN 13.A O no hydrogen 2.886 N/A ASP 10.A N THR 8.A OG1 no hydrogen 3.117 N/A GLY 11.A N THR 8.A OG1 no hydrogen 2.981 N/A VAL 12.A N ASP 10.A OD1 no hydrogen 3.492 N/A ASN 13.A N ASP 10.A OD1 no hydrogen 3.153 N/A ASN 13.A ND2 ASP 10.A OD2 no hydrogen 2.974 N/A ARG 15.A N VAL 7.A O no hydrogen 3.002 N/A ARG 15.A NE GLU 63.A OE1 no hydrogen 3.316 N/A ARG 15.A NE GLU 63.A OE2 no hydrogen 2.831 N/A ARG 15.A NH2 GLU 63.A OE1 no hydrogen 2.951 N/A VAL 17.A N VAL 5.A O no hydrogen 2.870 N/A LEU 19.A N ILE 3.A O no hydrogen 3.009 N/A ASN 20.A N GLN 28.A OE1 no hydrogen 2.957 N/A LYS 22.A N ASN 20.A OD1 no hydrogen 3.075 N/A TYR 25.A N THR 42.A O no hydrogen 3.133 N/A TYR 25.A OH GLN 48.A OE1 no hydrogen 2.600 N/A ARG 26.A N SER 40.A O no hydrogen 2.819 N/A ARG 26.A NH1 ASP 41.A OD1 no hydrogen 2.890 N/A SER 27.A N THR 24.A O no hydrogen 3.037 N/A SER 27.A N THR 24.A OG1 no hydrogen 3.198 N/A GLN 28.A N THR 24.A O no hydrogen 3.137 N/A GLN 28.A NE2 ASN 20.A O no hydrogen 3.002 N/A GLN 28.A NE2 ASN 23.A O no hydrogen 2.933 N/A LEU 29.A N TYR 25.A O no hydrogen 2.826 N/A GLY 30.A N TYR 25.A O no hydrogen 3.125 N/A CYS 31.A N ASP 57.A OD1 no hydrogen 2.795 N/A CYS 31.A SG SER 40.A OG no hydrogen 3.573 N/A VAL 32.A N SER 40.A OG no hydrogen 2.858 N/A PHE 33.A N TYR 54.A O no hydrogen 2.905 N/A PHE 34.A N ALA 37.A O no hydrogen 2.733 N/A ALA 37.A N PHE 34.A O no hydrogen 2.949 N/A ILE 39.A N VAL 32.A O no hydrogen 3.170 N/A SER 40.A N ASP 38.A OD1 no hydrogen 3.273 N/A SER 40.A OG VAL 32.A O no hydrogen 3.469 N/A SER 40.A OG ASP 38.A OD1 no hydrogen 2.667 N/A THR 42.A N ILE 39.A O no hydrogen 3.087 N/A GLN 48.A N ASP 45.A O no hydrogen 3.326 N/A GLY 50.A N GLU 4.A O no hydrogen 2.788 N/A HIS 51.A N GLN 48.A O no hydrogen 3.301 N/A LEU 53.A N LEU 6.A O no hydrogen 2.628 N/A TYR 54.A N PHE 33.A O no hydrogen 3.034 N/A LEU 55.A N THR 8.A O no hydrogen 2.893 N/A ALA 56.A N CYS 31.A O no hydrogen 2.862 N/A ASN 58.A ND2 ASP 57.A OD1 no hydrogen 3.046 N/A THR 60.A N GLU 63.A OE1 no hydrogen 3.141 N/A GLU 63.A N THR 60.A OG1 no hydrogen 3.064 N/A THR 64.A N THR 60.A O no hydrogen 2.982 N/A THR 64.A OG1 THR 60.A O no hydrogen 3.025 N/A LYS 65.A N ALA 61.A O no hydrogen 3.102 N/A ALA 66.A N ASP 62.A O no hydrogen 3.150 N/A LEU 67.A N GLU 63.A O no hydrogen 2.677 N/A LYS 68.A N THR 64.A O no hydrogen 3.136 N/A GLU 69.A N LYS 65.A O no hydrogen 3.034 N/A LEU 70.A N ALA 66.A O no hydrogen 3.010 N/A TYR 71.A N LEU 67.A O no hydrogen 2.885 N/A GLY 72.A N LYS 68.A O no hydrogen 3.021 N/A THR 77.A N ASP 75.A OD2 no hydrogen 3.006 N/A THR 77.A OG1 ASP 75.A OD2 no hydrogen 2.591 N/A PHE 78.A N ASP 75.A O no hydrogen 3.151 N/A ARG 81.A N THR 77.A O no hydrogen 2.905 N/A ARG 81.A NH1 ASP 75.A OD1 no hydrogen 2.928 N/A ARG 81.A NH1 THR 77.A OG1 no hydrogen 2.996 N/A PHE 82.A N PHE 78.A O no hydrogen 2.719 N/A TYR 83.A N LEU 79.A O no hydrogen 2.853 N/A TYR 83.A OH LEU 55.A O no hydrogen 3.143 N/A SER 84.A N HIS 80.A O no hydrogen 3.022 N/A LEU 85.A N ARG 81.A O no hydrogen 2.931 N/A LYS 86.A N PHE 82.A O no hydrogen 2.868 N/A ALA 87.A N TYR 83.A O no hydrogen 3.253 N/A ALA 88.A N SER 84.A O no hydrogen 2.911 N/A VAL 89.A N LEU 85.A O no hydrogen 2.913 N/A HIS 90.A N ALA 87.A O no hydrogen 3.362 N/A TRP 92.A N VAL 89.A O no hydrogen 3.119 N/A TRP 92.A NE1 ASP 107.A OD2 no hydrogen 3.130 N/A VAL 95.A N SER 102.A O no hydrogen 2.967 N/A CYS 97.A N VAL 100.A O no hydrogen 2.965 N/A VAL 100.A N CYS 97.A O no hydrogen 3.128 N/A ARG 101.A NE ASP 120.A OD2 no hydrogen 3.109 N/A ARG 101.A NH2 ASP 120.A OD1 no hydrogen 3.435 N/A SER 102.A N VAL 95.A O no hydrogen 2.847 N/A SER 102.A OG ASN 113.A OD1 no hydrogen 3.156 N/A LEU 103.A N ASN 113.A OD1 no hydrogen 2.929 N/A LYS 104.A N LYS 93.A O no hydrogen 3.008 N/A LEU 105.A N SER 288.A O no hydrogen 3.159 N/A SER 106.A N ASN 109.A OD1 no hydrogen 3.199 N/A SER 106.A OG ASP 107.A OD2 no hydrogen 2.487 N/A ASN 108.A ND2 GLY 160.A O no hydrogen 3.151 N/A ASN 109.A N SER 106.A O no hydrogen 2.879 N/A ASN 109.A ND2 LYS 104.A O no hydrogen 2.977 N/A CYS 110.A SG HIS 272.A ND1 no hydrogen 3.520 N/A LEU 112.A N ASN 109.A O no hydrogen 2.986 N/A ASN 113.A N ASN 109.A O no hydrogen 3.261 N/A ASN 113.A N CYS 110.A O no hydrogen 2.965 N/A ASN 113.A ND2 PHE 286.A O no hydrogen 3.628 N/A ALA 114.A N CYS 110.A O no hydrogen 3.231 N/A VAL 115.A N TYR 111.A O no hydrogen 3.068 N/A ILE 116.A N LEU 112.A O no hydrogen 2.915 N/A MET 117.A N ASN 113.A O no hydrogen 2.953 N/A THR 118.A N ALA 114.A O no hydrogen 3.049 N/A THR 118.A OG1 ALA 114.A O no hydrogen 2.716 N/A LEU 119.A N VAL 115.A O no hydrogen 2.951 N/A ASP 120.A N ILE 116.A O no hydrogen 3.077 N/A LEU 121.A N THR 118.A O no hydrogen 2.940 N/A LEU 122.A N LEU 119.A O no hydrogen 3.074 N/A LYS 126.A N GLU 177.A O no hydrogen 3.189 N/A PHE 127.A N GLN 133.A OE1 no hydrogen 2.833 N/A VAL 128.A N LYS 175.A O no hydrogen 3.264 N/A ALA 131.A N LEU 70.A O no hydrogen 2.834 N/A LEU 132.A N ILE 129.A O no hydrogen 3.161 N/A GLN 133.A N ILE 129.A O no hydrogen 3.025 N/A HIS 134.A N PRO 130.A O no hydrogen 2.693 N/A ALA 135.A N ALA 131.A O no hydrogen 2.968 N/A PHE 136.A N LEU 132.A O no hydrogen 2.788 N/A MET 137.A N GLN 133.A O no hydrogen 2.939 N/A LYS 138.A N HIS 134.A O no hydrogen 2.963 N/A LYS 138.A NZ ASP 146.A OD2 no hydrogen 2.846 N/A HIS 139.A N ALA 135.A O no hydrogen 2.922 N/A HIS 139.A ND1 SER 144.A OG no hydrogen 2.654 N/A HIS 139.A NE2 ASP 120.A OD1 no hydrogen 3.087 N/A LYS 140.A N PHE 136.A O no hydrogen 3.046 N/A GLY 141.A N LYS 138.A O no hydrogen 2.866 N/A GLY 142.A N HIS 139.A O no hydrogen 3.264 N/A ASP 143.A N LYS 138.A O no hydrogen 3.069 N/A SER 144.A OG HIS 139.A ND1 no hydrogen 2.654 N/A THR 145.A N ASP 143.A OD1 no hydrogen 3.333 N/A ILE 148.A N SER 144.A O no hydrogen 2.907 N/A ALA 149.A N THR 145.A O no hydrogen 2.933 N/A LEU 150.A N ASP 146.A O no hydrogen 2.809 N/A ILE 151.A N PHE 147.A O no hydrogen 3.143 N/A MET 152.A N ILE 148.A O no hydrogen 3.058 N/A ALA 153.A N ALA 149.A O no hydrogen 2.990 N/A TYR 154.A N LEU 150.A O no hydrogen 2.780 N/A TYR 154.A OH TYR 71.A O no hydrogen 2.729 N/A GLY 155.A N ILE 151.A O no hydrogen 3.029 N/A ASN 156.A N ALA 153.A O no hydrogen 3.314 N/A CYS 157.A N MET 152.A O no hydrogen 2.815 N/A CYS 157.A SG TYR 111.A OH no hydrogen 3.865 N/A CYS 157.A SG ASP 163.A OD2 no hydrogen 3.614 N/A ALA 161.A N THR 158.A O no hydrogen 3.095 N/A ASP 164.A N ASP 163.A OD1 no hydrogen 2.899 N/A SER 166.A OG ASP 303.A OD1 no hydrogen 2.281 N/A ARG 167.A N ASP 164.A OD2 no hydrogen 2.938 N/A ARG 167.A NE ASP 163.A OD1 no hydrogen 2.944 N/A ARG 167.A NH1 GLY 155.A O no hydrogen 2.866 N/A ARG 167.A NH2 GLY 155.A O no hydrogen 2.899 N/A ARG 167.A NH2 ASP 163.A OD1 no hydrogen 3.409 N/A ARG 167.A NH2 ASP 163.A OD2 no hydrogen 2.988 N/A LEU 168.A N ASP 164.A O no hydrogen 3.302 N/A LEU 169.A N ALA 165.A O no hydrogen 2.900 N/A HIS 170.A N SER 166.A O no hydrogen 3.026 N/A HIS 170.A NE2 SER 246.A OG no hydrogen 2.775 N/A THR 171.A N ARG 167.A O no hydrogen 2.962 N/A THR 171.A OG1 ARG 167.A O no hydrogen 3.391 N/A VAL 172.A N LEU 168.A O no hydrogen 2.788 N/A LEU 173.A N LEU 169.A O no hydrogen 2.984 N/A ALA 174.A N HIS 170.A O no hydrogen 3.027 N/A LYS 175.A N VAL 172.A O no hydrogen 2.898 N/A ALA 176.A N LEU 173.A O no hydrogen 3.063 N/A CYS 180.A SG SER 181.A O no hydrogen 4.012 N/A ARG 183.A N THR 239.A O no hydrogen 2.742 N/A ARG 183.A NH1 GLU 237.A OE2 no hydrogen 3.351 N/A MET 184.A N LEU 200.A O no hydrogen 2.928 N/A VAL 185.A N GLU 237.A O no hydrogen 2.826 N/A TRP 186.A N VAL 198.A O no hydrogen 2.800 N/A ARG 187.A N GLN 234.A O no hydrogen 2.937 N/A ARG 187.A NE ASP 197.A OD1 no hydrogen 2.957 N/A ARG 187.A NH2 ASP 197.A OD2 no hydrogen 2.980 N/A GLU 188.A N LYS 196.A O no hydrogen 2.786 N/A TRP 189.A N HIS 232.A O no hydrogen 2.959 N/A CYS 190.A N GLY 194.A O no hydrogen 3.013 N/A CYS 190.A SG GLU 230.A O no hydrogen 3.728 N/A GLY 194.A N CYS 190.A O no hydrogen 2.876 N/A LYS 196.A N GLU 188.A O no hydrogen 2.896 N/A VAL 198.A N TRP 186.A O no hydrogen 2.877 N/A LEU 200.A N MET 184.A O no hydrogen 2.833 N/A GLY 202.A N ALA 182.A O no hydrogen 2.958 N/A LYS 204.A N GLN 201.A O no hydrogen 3.264 N/A ALA 205.A N GLY 202.A O no hydrogen 3.222 N/A CYS 206.A N LEU 203.A O no hydrogen 3.144 N/A CYS 206.A SG GLY 202.A O no hydrogen 3.323 N/A CYS 207.A SG LEU 203.A O no hydrogen 3.739 N/A TYR 208.A N LEU 244.A O no hydrogen 3.031 N/A GLY 210.A N SER 246.A O no hydrogen 2.944 N/A GLN 212.A NE2 THR 248.A O no hydrogen 3.388 N/A GLN 212.A NE2 VAL 301.A O no hydrogen 2.792 N/A GLN 212.A NE2 THR 302.A O no hydrogen 2.974 N/A THR 213.A OG1 ASP 216.A OD2 no hydrogen 2.757 N/A ASP 216.A N THR 213.A OG1 no hydrogen 3.078 N/A LEU 217.A N THR 213.A O no hydrogen 3.224 N/A ARG 218.A N VAL 214.A O no hydrogen 2.942 N/A ARG 218.A NH2 GLN 309.A OE1 no hydrogen 3.205 N/A MET 221.A N ARG 233.A O no hydrogen 2.923 N/A THR 222.A OG1 HIS 232.A ND1 no hydrogen 3.043 N/A TYR 223.A N ARG 231.A O no hydrogen 2.934 N/A CYS 225.A N GLY 229.A O no hydrogen 3.118 N/A GLY 228.A N CYS 225.A O no hydrogen 2.794 N/A ARG 231.A N TYR 223.A O no hydrogen 3.021 N/A ARG 231.A NH1 TYR 223.A OH no hydrogen 3.430 N/A HIS 232.A N TRP 189.A O no hydrogen 2.912 N/A HIS 232.A ND1 THR 222.A OG1 no hydrogen 3.043 N/A ARG 233.A N MET 221.A O no hydrogen 2.929 N/A ARG 233.A NE GLU 188.A OE2 no hydrogen 2.840 N/A ARG 233.A NH2 GLU 188.A OE2 no hydrogen 3.427 N/A GLN 234.A N ARG 187.A O no hydrogen 3.029 N/A VAL 236.A N VAL 185.A O no hydrogen 2.900 N/A HIS 238.A N TYR 311.A O no hydrogen 2.876 N/A HIS 238.A NE2 ALA 205.A O no hydrogen 2.922 N/A THR 239.A N ARG 183.A O no hydrogen 2.806 N/A THR 240.A N GLN 309.A O no hydrogen 2.991 N/A THR 240.A OG1 TRP 242.A O no hydrogen 2.821 N/A LEU 243.A N PHE 306.A O no hydrogen 3.037 N/A LEU 244.A N CYS 206.A O no hydrogen 2.749 N/A LEU 245.A N VAL 304.A O no hydrogen 2.854 N/A SER 246.A N TYR 208.A O no hydrogen 3.015 N/A SER 246.A OG HIS 170.A NE2 no hydrogen 2.775 N/A SER 246.A OG ASP 303.A OD1 no hydrogen 2.748 N/A GLY 247.A N THR 302.A O no hydrogen 3.022 N/A ASN 250.A N VAL 301.A O no hydrogen 2.963 N/A ASN 250.A ND2 GLN 212.A OE1 no hydrogen 3.588 N/A LYS 252.A N CYS 299.A O no hydrogen 2.995 N/A VAL 254.A N TRP 297.A O no hydrogen 2.898 N/A THR 256.A N SER 295.A O no hydrogen 3.072 N/A THR 256.A OG1 SER 295.A O no hydrogen 2.978 N/A VAL 263.A N LEU 305.A O no hydrogen 3.008 N/A PHE 265.A N ALA 276.A O no hydrogen 3.109 N/A ASN 266.A N ASP 303.A O no hydrogen 2.863 N/A ASN 266.A ND2 THR 118.A OG1 no hydrogen 3.124 N/A ASN 266.A ND2 ASP 303.A OD2 no hydrogen 2.884 N/A VAL 267.A N VAL 274.A O no hydrogen 2.921 N/A PHE 268.A N LYS 300.A O no hydrogen 2.938 N/A GLN 269.A N HIS 272.A O no hydrogen 2.861 N/A HIS 272.A N GLN 269.A O no hydrogen 2.925 N/A HIS 272.A NE2 ASP 287.A OD1 no hydrogen 2.718 N/A TYR 273.A OH ASP 164.A OD1 no hydrogen 2.676 N/A VAL 274.A N VAL 267.A O no hydrogen 3.130 N/A HIS 275.A ND1 ASN 266.A OD1 no hydrogen 2.912 N/A ALA 276.A N PHE 265.A O no hydrogen 2.971 N/A ARG 277.A N LEU 284.A O no hydrogen 2.955 N/A ARG 277.A NE HIS 275.A NE2 no hydrogen 2.897 N/A ARG 277.A NH2 MET 117.A O no hydrogen 3.112 N/A LEU 278.A N VAL 263.A O no hydrogen 2.988 N/A LYS 279.A N LEU 282.A O no hydrogen 3.231 N/A ILE 283.A N THR 294.A O no hydrogen 3.042 N/A LEU 284.A N ARG 277.A O no hydrogen 2.745 N/A LYS 285.A N SER 292.A O no hydrogen 3.069 N/A PHE 286.A N HIS 275.A O no hydrogen 2.813 N/A ASP 287.A N THR 290.A O no hydrogen 2.756 N/A THR 290.A OG1 ASP 287.A O no hydrogen 3.076 N/A THR 294.A N ILE 283.A O no hydrogen 3.323 N/A TRP 297.A N VAL 254.A O no hydrogen 2.936 N/A CYS 299.A N LYS 252.A O no hydrogen 3.312 N/A CYS 299.A SG TRP 297.A O no hydrogen 4.014 N/A VAL 301.A N ASN 250.A O no hydrogen 2.931 N/A THR 302.A N ASN 266.A O no hydrogen 2.750 N/A THR 302.A OG1 ASN 266.A O no hydrogen 3.092 N/A THR 302.A OG1 ASP 303.A OD2 no hydrogen 3.517 N/A VAL 304.A N LEU 245.A O no hydrogen 2.580 N/A LEU 305.A N ALA 264.A O no hydrogen 2.963 N/A PHE 306.A N LEU 243.A O no hydrogen 2.530 N/A GLN 309.A N THR 240.A O no hydrogen 2.872 N/A GLN 309.A N THR 240.A OG1 no hydrogen 3.212 N/A GLN 309.A NE2 PRO 307.A O no hydrogen 3.077 N/A LYS 310.A NZ THR 240.A O no hydrogen 2.933 N/A TYR 311.A N HIS 238.A O no hydrogen 3.039 N/A SER 313.A N VAL 236.A O no hydrogen 3.128 N/A SER 313.A OG CYS 315.A O no hydrogen 3.414 N/A CYS 315.A N SER 313.A OG no hydrogen 3.188 N/A ARG 319.A N ASN 316.A O no hydrogen 3.127 N/A